1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine

C15H29NO — CID 55096153

IUPAC1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-3-13-4-8-15(16,9-5-13)12-14-6-10-17-11-7-14/h13-14H,2-12,16H2,1H3
InChIKeyBRGGOBFBEHQMEN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds4

About 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine

1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 55096153) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID55096153
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-3-13-4-8-15(16,9-5-13)12-14-6-10-17-11-7-14/h13-14H,2-12,16H2,1H3
InChIKeyBRGGOBFBEHQMEN-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine (CID 55096153) is 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is BRGGOBFBEHQMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-13-4-8-15(16,9-5-13)12-14-6-10-17-11-7-14/h13-14H,2-12,16H2,1H3.
What are the key properties of 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine?
1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55096153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).